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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Angiotensin II AT1B' and Ligand = 'BDBM50406795'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Angiotensin II AT1B


(RAT)
BDBM50406795
PNG
(Cozaar | LOSARTAN POTASSIUM)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1
Show InChI InChI=1S/C22H22ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3/q-1
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PubMed
9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro antagonistic potency against angiotensin II receptor using [125I]- Sar,Ile8-angiotensin II as the radioligand in rat adrenal cortical membra...


J Med Chem 35: 4751-63 (1993)


Article DOI: 10.1021/jm00103a014
BindingDB Entry DOI: 10.7270/Q2VH5PFJ
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50406795
PNG
(Cozaar | LOSARTAN POTASSIUM)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1
Show InChI InChI=1S/C22H22ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3/q-1
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n/an/a 1.5n/an/an/an/an/an/a



E. Merck

Curated by ChEMBL


Assay Description
Binding affinity against AT1 receptor in the presence of 0.01% BSA


J Med Chem 37: 1632-45 (1994)


Article DOI: 10.1021/jm00037a014
BindingDB Entry DOI: 10.7270/Q2RR1X9M
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50406795
PNG
(Cozaar | LOSARTAN POTASSIUM)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1
Show InChI InChI=1S/C22H22ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3/q-1
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n/an/a 9.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the ability to displace the specific binding of [125I]-A II from receptors in rat liver membrane(type 1 receptor)


Bioorg Med Chem Lett 6: 1469-1474 (1996)


Article DOI: 10.1016/S0960-894X(96)00250-8
BindingDB Entry DOI: 10.7270/Q2SN08XQ
More data for this
Ligand-Target Pair